#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv n GLU 2 N 0.00 -1.93 -2.71 2.12 0.00 -1.26 -4.93 120.64 111.92 2kkv n GLU 2 Ca 0.00 1.79 -0.43 0.00 0.00 0.00 0.00 57.16 58.52 2kkv n GLU 2 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 31.44 27.34 2kkv n GLU 2 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2kkv s ASN 3 N -1.57 6.79 -0.27 4.31 -0.87 -1.26 -4.99 114.94 117.08 2kkv s ASN 3 Ca 0.08 0.80 -0.02 0.00 -1.57 0.00 0.00 52.86 52.15 2kkv s ASN 3 Cb -0.02 -2.51 0.09 0.00 -0.02 0.00 0.00 41.25 38.78 2kkv s ASN 3 CO 0.51 -0.90 0.08 -0.55 -2.57 0.00 0.00 177.10 173.67 2kkv s SER 4 N 1.82 3.59 0.00 -1.22 0.15 -1.26 -4.39 113.70 112.40 2kkv s SER 4 Ca 0.42 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.77 2kkv s SER 4 Cb -0.12 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 2kkv s SER 4 CO 0.18 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2kkv n GLY 5 N 4.96 0.74 0.12 9.45 0.00 -1.26 -4.94 105.19 114.26 2kkv n GLY 5 Ca -0.05 0.41 0.12 0.00 0.00 0.00 0.00 46.02 46.50 2kkv n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv n ALA 6 N -3.00 1.85 -3.20 4.61 0.00 -1.26 -4.70 120.51 114.81 2kkv n ALA 6 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 2kkv n ALA 6 Cb 0.00 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 2kkv n ALA 6 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kkv s TYR 7 N -3.26 -0.22 0.00 0.00 1.13 -1.26 -5.00 117.35 108.74 2kkv s TYR 7 Ca 0.06 0.54 0.00 0.00 -1.41 0.00 0.00 57.07 56.26 2kkv s TYR 7 Cb 0.10 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 41.02 2kkv s TYR 7 CO 0.46 -0.12 0.00 0.25 -2.51 0.00 0.00 175.55 173.63 2kkv n THR 8 N 3.22 0.00 0.00 -3.49 -2.24 -1.26 -4.08 114.28 106.43 2kkv n THR 8 Ca -0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2kkv n THR 8 Cb 0.57 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 2kkv n THR 8 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2kkv h PHE 9 N 0.46 0.06 -0.00 4.78 3.04 -1.96 -2.90 116.94 120.42 2kkv h PHE 9 Ca 0.00 -0.01 -0.23 0.00 3.98 0.00 0.00 57.97 61.72 2kkv h PHE 9 Cb 0.00 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2kkv h PHE 9 CO 0.00 0.22 -0.94 1.49 -2.02 0.00 0.00 178.31 177.06 2kkv h GLU 10 N -0.12 0.41 -0.47 1.11 4.22 -1.99 -3.28 114.58 114.45 2kkv h GLU 10 Ca 0.01 -0.44 -0.03 0.00 0.08 0.00 0.00 59.36 58.99 2kkv h GLU 10 Cb 0.19 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2kkv h GLU 10 CO -0.00 1.10 0.19 1.15 -2.18 0.00 0.00 179.01 179.27 2kkv h THR 11 N 0.23 1.18 -0.16 0.32 2.02 -1.93 1.03 112.91 115.59 2kkv h THR 11 Ca -0.08 -0.55 -0.19 0.00 0.77 0.00 0.00 66.41 66.36 2kkv h THR 11 Cb 1.57 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2kkv h THR 11 CO 0.16 0.22 -0.65 0.40 0.37 0.00 0.00 175.52 176.02 2kkv h ILE 12 N 0.67 1.32 0.00 3.11 2.04 -1.59 -2.82 117.51 120.23 2kkv h ILE 12 Ca 0.16 -1.92 -0.14 0.00 1.00 0.00 0.00 64.86 63.96 2kkv h ILE 12 Cb 0.14 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2kkv h ILE 12 CO -0.02 0.60 -0.68 0.00 0.00 0.00 0.00 178.15 178.05 2kkv h ALA 13 N 0.83 0.84 -0.80 1.87 0.00 -1.44 -3.24 119.26 117.30 2kkv h ALA 13 Ca -0.02 -0.62 0.21 0.00 0.00 0.00 0.00 54.91 54.49 2kkv h ALA 13 Cb 1.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2kkv h ALA 13 CO 0.13 0.85 0.56 -0.09 0.00 0.00 0.00 179.25 180.70 2kkv h ARG 14 N 0.00 0.12 0.19 0.00 9.65 0.13 0.39 114.38 124.87 2kkv h ARG 14 Ca -0.01 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2kkv h ARG 14 Cb 1.23 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.75 2kkv h ARG 14 CO 0.09 0.08 -0.40 1.49 2.80 0.00 0.00 179.97 184.03 2kkv h GLU 15 N 0.13 -0.65 0.00 0.20 4.22 -1.58 0.21 114.58 117.11 2kkv h GLU 15 Ca 0.39 0.04 -0.22 0.00 0.08 0.00 0.00 59.36 59.65 2kkv h GLU 15 Cb 1.36 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 2kkv h GLU 15 CO -0.05 -0.43 -1.11 0.11 -2.18 0.00 0.00 179.01 175.34 2kkv h TRP 16 N -0.68 0.01 0.00 0.92 5.08 -1.64 -3.35 115.95 116.30 2kkv h TRP 16 Ca 0.01 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 2kkv h TRP 16 Cb 0.67 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.83 2kkv h TRP 16 CO -0.32 1.01 -0.10 1.25 -1.28 0.00 0.00 178.44 179.00 2kkv h HIS 17 N 0.00 0.00 0.00 0.12 2.76 0.23 -2.68 115.15 115.58 2kkv h HIS 17 Ca -0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2kkv h HIS 17 Cb 1.81 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.77 2kkv h HIS 17 CO 0.00 0.10 0.00 -1.91 -1.30 0.00 0.00 177.93 174.82 2kkv n GLU 18 N -4.11 0.18 0.21 5.26 4.07 0.69 -2.14 120.64 124.80 2kkv n GLU 18 Ca -0.03 0.13 0.06 0.00 -0.06 0.00 0.00 57.16 57.26 2kkv n GLU 18 Cb 0.18 -1.50 0.47 0.00 -0.06 0.00 0.00 31.44 30.54 2kkv n GLU 18 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2kkv h SER 19 N 0.00 0.00 -3.84 4.31 0.02 -1.75 -3.49 113.55 108.79 2kkv h SER 19 Ca 0.00 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2kkv h SER 19 Cb 0.05 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 2kkv h SER 19 CO 0.00 0.27 -0.64 -3.20 -1.14 0.00 0.00 176.83 172.12 2kkv n ASN 20 N -4.01 -4.31 0.01 3.07 5.15 -0.91 -4.87 115.26 109.39 2kkv n ASN 20 Ca -0.02 0.86 -0.22 0.00 -0.60 0.00 0.00 54.58 54.60 2kkv n ASN 20 Cb 0.34 -2.55 -0.14 0.00 -0.53 0.00 0.00 39.78 36.90 2kkv n ASN 20 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 2kkv h LYS 21 N -0.50 0.27 -3.00 1.20 2.10 -1.95 -3.50 116.57 111.18 2kkv h LYS 21 Ca -0.08 -0.46 0.03 0.00 -2.00 0.00 0.00 60.65 58.15 2kkv h LYS 21 Cb 0.68 0.17 -0.08 0.00 -0.90 0.00 0.00 32.23 32.10 2kkv h LYS 21 CO 0.03 1.22 0.22 0.50 -2.00 0.00 0.00 179.45 179.42 2kkv s ARG 22 N -2.54 1.57 -0.79 0.07 6.06 -1.26 -5.08 118.95 116.97 2kkv s ARG 22 Ca -0.22 -0.77 -0.26 0.00 -2.50 0.00 0.00 55.73 51.99 2kkv s ARG 22 Cb 0.06 0.60 -0.11 0.00 0.06 0.00 0.00 34.95 35.56 2kkv s ARG 22 CO 0.77 -0.71 2.31 -1.58 -2.50 0.00 0.00 175.30 173.60 2kkv s TRP 23 N -3.85 1.27 -0.24 5.12 0.51 -1.26 -4.32 118.94 116.17 2kkv s TRP 23 Ca 0.07 1.70 0.09 0.00 -2.12 0.00 0.00 56.10 55.83 2kkv s TRP 23 Cb -0.04 -3.57 0.29 0.00 -0.81 0.00 0.00 33.47 29.34 2kkv s TRP 23 CO -0.02 -1.67 1.29 0.43 -0.51 0.00 0.00 176.95 176.48 2kkv n SER 24 N 17.56 -1.17 -0.09 2.95 7.64 -1.26 -5.04 113.62 134.21 2kkv n SER 24 Ca 0.45 -1.97 -0.07 0.00 1.01 0.00 0.00 58.87 58.29 2kkv n SER 24 Cb 0.45 0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 64.17 2kkv n SER 24 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kkv h GLU 25 N 0.71 -0.21 -0.52 1.43 4.57 -1.99 0.32 114.58 118.89 2kkv h GLU 25 Ca -0.39 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 57.87 2kkv h GLU 25 Cb 1.25 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.83 2kkv h GLU 25 CO -0.17 -0.14 0.19 0.22 -1.18 0.00 0.00 179.01 177.93 2kkv h ASP 26 N -0.22 0.20 -0.01 1.04 3.58 -1.97 -2.89 116.42 116.15 2kkv h ASP 26 Ca 0.17 0.06 -0.19 0.00 0.42 0.00 0.00 57.03 57.48 2kkv h ASP 26 Cb 0.48 0.04 0.02 0.00 1.72 0.00 0.00 39.33 41.59 2kkv h ASP 26 CO -0.47 0.14 -0.76 0.45 -2.88 0.00 0.00 179.24 175.73 2kkv h HIS 27 N 0.37 0.78 0.00 0.28 3.86 -1.53 -3.25 115.15 115.66 2kkv h HIS 27 Ca 0.25 -0.42 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 2kkv h HIS 27 Cb 0.26 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 2kkv h HIS 27 CO -0.16 1.24 -0.07 0.07 0.86 0.00 0.00 177.93 179.87 2kkv h ARG 28 N 0.09 0.00 -0.27 2.45 -0.00 -0.33 0.18 114.38 116.50 2kkv h ARG 28 Ca -0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.75 2kkv h ARG 28 Cb 1.44 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.41 2kkv h ARG 28 CO 0.15 0.07 -0.38 1.03 -0.00 0.00 0.00 179.97 180.84 2kkv h SER 29 N 0.00 0.80 0.62 0.08 0.87 -1.54 -1.77 113.55 112.61 2kkv h SER 29 Ca -0.00 -0.51 -0.28 0.00 -1.23 0.00 0.00 61.79 59.78 2kkv h SER 29 Cb 0.22 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2kkv h SER 29 CO 0.01 1.15 -1.34 0.08 -0.53 0.00 0.00 176.83 176.21 2kkv h ARG 30 N 0.48 0.19 -0.55 2.24 0.11 -1.39 -3.31 114.38 112.15 2kkv h ARG 30 Ca 0.03 -0.33 -0.08 0.00 0.10 0.00 0.00 59.98 59.70 2kkv h ARG 30 Cb 0.97 0.12 -0.02 0.00 1.11 0.00 0.00 29.97 32.15 2kkv h ARG 30 CO 0.09 1.09 0.01 0.28 0.10 0.00 0.00 179.97 181.54 2kkv h VAL 31 N 0.05 1.25 -0.30 0.08 2.07 -0.74 -2.93 116.25 115.73 2kkv h VAL 31 Ca -0.16 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 66.39 2kkv h VAL 31 Cb 1.95 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2kkv h VAL 31 CO 0.17 0.38 0.43 0.25 0.02 0.00 0.00 177.57 178.82 2kkv h LEU 32 N 0.86 0.00 -1.90 2.57 5.85 -1.40 0.22 115.31 121.51 2kkv h LEU 32 Ca 0.16 0.00 0.26 0.00 0.84 0.00 0.00 57.88 59.14 2kkv h LEU 32 Cb 0.48 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2kkv h LEU 32 CO 0.02 0.00 0.66 -0.09 -0.34 0.00 0.00 178.44 178.69 2kkv h ARG 33 N 0.00 0.07 -0.31 1.25 2.43 -1.68 -0.31 114.38 115.83 2kkv h ARG 33 Ca 0.14 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 2kkv h ARG 33 Cb 1.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 2kkv h ARG 33 CO -0.00 0.05 0.33 0.10 -1.51 0.00 0.00 179.97 178.94 2kkv h TYR 34 N 0.08 0.00 -0.78 2.20 -0.00 -1.18 -2.17 116.97 115.12 2kkv h TYR 34 Ca 0.46 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 59.26 2kkv h TYR 34 Cb 1.68 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 38.35 2kkv h TYR 34 CO -0.00 0.00 0.45 1.25 -0.00 0.00 0.00 178.16 179.86 2kkv h LEU 35 N 0.00 0.67 -1.40 0.10 5.85 -1.28 0.47 115.31 119.72 2kkv h LEU 35 Ca 0.15 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2kkv h LEU 35 Cb 0.80 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2kkv h LEU 35 CO -0.00 0.41 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.11 2kkv h GLU 36 N 0.80 0.31 0.00 1.25 4.39 -1.60 -2.11 114.58 117.63 2kkv h GLU 36 Ca 0.36 -0.06 -0.33 0.00 0.34 0.00 0.00 59.36 59.66 2kkv h GLU 36 Cb 0.25 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 2kkv h GLU 36 CO -0.20 0.40 -2.23 1.28 -1.16 0.00 0.00 179.01 177.10 2kkv n LEU 37 N -4.30 2.84 0.08 1.33 4.77 -0.88 -3.70 117.00 117.13 2kkv n LEU 37 Ca -0.00 -0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 2kkv n LEU 37 Cb 0.24 -0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2kkv n LEU 37 CO 0.38 0.82 0.08 0.22 -1.33 0.00 0.00 177.39 177.56 2kkv h TYR 38 N -0.09 0.73 0.00 -1.77 3.20 -0.15 -3.09 116.97 115.80 2kkv h TYR 38 Ca -0.49 -0.43 -0.35 0.00 3.14 0.00 0.00 58.73 60.59 2kkv h TYR 38 Cb 1.72 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.85 2kkv h TYR 38 CO 0.01 1.27 -2.32 -0.89 -1.64 0.00 0.00 178.16 174.59 2kkv n ILE 39 N -3.73 1.37 -3.00 1.81 2.08 -0.81 -4.57 119.36 112.51 2kkv n ILE 39 Ca -0.09 -0.85 -0.27 0.00 0.56 0.00 0.00 62.75 62.11 2kkv n ILE 39 Cb 0.90 -0.50 -0.04 0.00 -0.75 0.00 0.00 39.64 39.25 2kkv n ILE 39 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2kkv n PHE 40 N -2.76 3.95 0.07 1.39 3.72 -1.09 -4.83 117.46 117.91 2kkv n PHE 40 Ca -0.31 -4.02 -0.08 0.00 -0.05 0.00 0.00 57.45 52.99 2kkv n PHE 40 Cb 1.14 -0.50 -0.05 0.00 -0.94 0.00 0.00 39.48 39.13 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kkv h PRO 41 N 3.12 -0.26 0.00 -1.08 0.13 -1.72 -3.32 132.00 128.88 2kkv h PRO 41 Ca 0.14 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 2kkv h PRO 41 Cb 0.53 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2kkv h PRO 41 CO 0.82 0.05 -1.73 1.58 -0.23 0.00 0.00 178.00 178.49 2kkv n HIS 42 N -4.94 0.00 -0.09 1.56 -0.00 -1.26 -4.57 115.22 105.91 2kkv n HIS 42 Ca -0.06 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.72 2kkv n HIS 42 Cb 0.21 -0.39 0.27 0.00 -0.00 0.00 0.00 29.99 30.08 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kkv n ILE 43 N -2.08 1.49 0.13 3.57 -5.35 -1.26 -4.38 119.36 111.48 2kkv n ILE 43 Ca -0.05 -0.88 0.02 0.00 -0.27 0.00 0.00 62.75 61.56 2kkv n ILE 43 Cb 0.46 -0.08 0.08 0.00 -1.74 0.00 0.00 39.64 38.36 2kkv n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kkv n GLY 44 N 0.78 -0.59 0.46 3.28 0.00 -1.25 -1.28 105.19 106.59 2kkv n GLY 44 Ca 0.19 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.26 2kkv n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkv n SER 45 N -1.46 1.35 -4.77 1.61 2.88 -1.26 -4.92 113.62 107.04 2kkv n SER 45 Ca 0.01 -1.84 -0.38 0.00 -1.33 0.00 0.00 58.87 55.33 2kkv n SER 45 Cb 0.04 -0.13 -0.04 0.00 -0.75 0.00 0.00 64.21 63.33 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kkv s SER 46 N -1.25 6.90 -0.16 -3.46 0.01 -0.41 -4.93 113.70 110.40 2kkv s SER 46 Ca 0.24 2.20 -0.09 0.00 1.31 0.00 0.00 55.95 59.60 2kkv s SER 46 Cb 0.12 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2kkv s SER 46 CO 0.18 -0.40 0.15 -0.62 0.41 0.00 0.00 173.24 172.96 2kkv s ASP 47 N -1.21 6.32 0.44 2.44 -1.08 -1.26 -4.92 116.67 117.41 2kkv s ASP 47 Ca 0.52 0.37 0.25 0.00 -0.52 0.00 0.00 52.55 53.17 2kkv s ASP 47 Cb -0.28 -2.09 0.68 0.00 -1.46 0.00 0.00 42.92 39.77 2kkv s ASP 47 CO 0.35 0.28 1.72 -0.29 0.52 0.00 0.00 175.17 177.76 2kkv h ILE 48 N 4.34 0.25 0.00 4.11 2.10 -1.94 -2.53 117.51 123.84 2kkv h ILE 48 Ca -0.47 -1.10 -0.01 0.00 1.08 0.00 0.00 64.86 64.36 2kkv h ILE 48 Cb 1.19 1.89 -0.00 0.00 -1.09 0.00 0.00 36.82 38.81 2kkv h ILE 48 CO 0.68 0.12 -0.05 -0.09 -1.08 0.00 0.00 178.15 177.73 2kkv h ARG 49 N 0.00 0.00 -2.43 2.19 2.43 -1.95 -3.37 114.38 111.25 2kkv h ARG 49 Ca -0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 2kkv h ARG 49 Cb 0.88 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.05 2kkv h ARG 49 CO 0.02 0.05 -0.94 -1.14 -1.51 0.00 0.00 179.97 176.45 2kkv s GLN 50 N -3.27 1.05 0.16 0.20 2.00 -0.97 -4.75 119.66 114.08 2kkv s GLN 50 Ca 0.06 -2.22 -0.27 0.00 -2.00 0.00 0.00 55.36 50.92 2kkv s GLN 50 Cb 0.06 -1.61 -0.08 0.00 0.80 0.00 0.00 33.01 32.19 2kkv s GLN 50 CO 0.66 -1.38 0.85 -1.17 -0.50 0.00 0.00 175.29 173.75 2kkv s LEU 51 N -0.08 4.58 0.45 3.68 1.98 -1.12 -4.04 118.68 124.12 2kkv s LEU 51 Ca 0.32 1.73 0.08 0.00 -2.89 0.00 0.00 54.13 53.37 2kkv s LEU 51 Cb 0.03 -3.43 0.01 0.00 0.66 0.00 0.00 46.19 43.46 2kkv s LEU 51 CO -0.19 0.12 0.49 -0.54 -1.89 0.00 0.00 176.35 174.34 2kkv s LYS 52 N -0.81 2.57 0.32 1.98 1.02 -1.26 -4.81 119.74 118.74 2kkv s LYS 52 Ca 0.39 -1.50 -0.05 0.00 0.02 0.00 0.00 55.97 54.83 2kkv s LYS 52 Cb -0.24 -2.51 0.08 0.00 -0.52 0.00 0.00 37.83 34.64 2kkv s LYS 52 CO 0.28 -0.34 0.32 2.41 -0.92 0.00 0.00 175.35 177.10 2kkv n THR 53 N -1.75 0.00 0.79 2.17 -1.04 -1.26 -4.20 114.28 108.99 2kkv n THR 53 Ca 0.06 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2kkv n THR 53 Cb 0.61 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 2kkv n THR 53 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kkv n SER 54 N -3.43 0.41 0.17 8.00 3.41 -1.26 -3.18 113.62 117.75 2kkv n SER 54 Ca 0.04 -1.20 0.04 0.00 -0.26 0.00 0.00 58.87 57.49 2kkv n SER 54 Cb 0.16 -0.21 0.24 0.00 -0.26 0.00 0.00 64.21 64.14 2kkv n SER 54 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2kkv h HIS 55 N 0.27 0.00 0.00 7.33 2.07 -2.01 -2.49 115.15 120.32 2kkv h HIS 55 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2kkv h HIS 55 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 2kkv h HIS 55 CO 0.00 0.45 0.00 1.37 -3.07 0.00 0.00 177.93 176.68 2kkv h LEU 56 N 0.00 0.00 -0.13 6.12 8.10 -1.90 -3.17 115.31 124.33 2kkv h LEU 56 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kkv h LEU 56 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.28 2kkv h LEU 56 CO 0.06 0.00 0.00 -0.11 -4.11 0.00 0.00 178.44 174.28 2kkv n LEU 57 N -2.33 0.57 -0.11 0.17 7.94 -0.94 -4.09 117.00 118.22 2kkv n LEU 57 Ca 0.04 0.57 -0.08 0.00 -1.11 0.00 0.00 56.01 55.44 2kkv n LEU 57 Cb 0.38 -0.41 -0.02 0.00 0.53 0.00 0.00 43.42 43.90 2kkv n LEU 57 CO 0.27 -0.22 0.64 0.00 -1.11 0.00 0.00 177.39 176.98 2kkv h ALA 58 N 2.57 -0.19 0.00 1.96 0.00 -1.66 -0.81 119.26 121.13 2kkv h ALA 58 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kkv h ALA 58 Cb 0.59 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kkv h ALA 58 CO 0.00 -0.73 -0.06 -1.00 0.00 0.00 0.00 179.25 177.47 2kkv h PRO 59 N -0.26 0.00 0.00 0.00 0.13 -1.86 -0.59 132.00 129.42 2kkv h PRO 59 Ca 0.17 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 2kkv h PRO 59 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2kkv h PRO 59 CO -0.52 0.06 -0.36 0.82 -0.23 0.00 0.00 178.00 177.76 2kkv h ILE 60 N 0.00 0.85 0.00 -3.56 5.03 -1.42 -2.78 117.51 115.62 2kkv h ILE 60 Ca -0.00 -1.49 -0.06 0.00 -0.12 0.00 0.00 64.86 63.19 2kkv h ILE 60 Cb 0.11 1.92 -0.01 0.00 -3.03 0.00 0.00 36.82 35.81 2kkv h ILE 60 CO 0.01 0.35 -0.28 0.11 -0.68 0.00 0.00 178.15 177.66 2kkv h LYS 61 N 0.00 0.00 -0.12 2.37 1.79 -0.30 -1.05 116.57 119.26 2kkv h LYS 61 Ca -0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2kkv h LYS 61 Cb 0.89 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 2kkv h LYS 61 CO 0.05 0.28 0.06 1.49 -1.08 0.00 0.00 179.45 180.25 2kkv h GLU 62 N 0.00 0.13 0.00 3.15 4.81 -1.42 1.00 114.58 122.24 2kkv h GLU 62 Ca -0.00 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 2kkv h GLU 62 Cb 0.72 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2kkv h GLU 62 CO 0.04 0.08 -0.76 -0.24 -0.73 0.00 0.00 179.01 177.40 2kkv h VAL 63 N 0.13 1.40 -0.02 0.32 3.04 -1.63 -3.09 116.25 116.40 2kkv h VAL 63 Ca 0.05 -2.75 0.03 0.00 -1.01 0.00 0.00 66.70 63.02 2kkv h VAL 63 Cb 0.01 2.54 -0.03 0.00 -2.01 0.00 0.00 31.29 31.80 2kkv h VAL 63 CO -0.04 0.75 -0.16 -0.78 -1.01 0.00 0.00 177.57 176.33 2kkv h ASP 64 N 0.00 -0.46 0.97 3.17 3.58 -0.72 -2.13 116.42 120.84 2kkv h ASP 64 Ca -0.01 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kkv h ASP 64 Cb 1.48 0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.73 2kkv h ASP 64 CO 0.10 -0.21 0.00 0.41 -2.88 0.00 0.00 179.24 176.66 2kkv n THR 65 N -5.29 0.74 0.32 2.25 -1.04 0.30 -1.82 114.28 109.75 2kkv n THR 65 Ca -0.05 0.06 0.15 0.00 -2.04 0.00 0.00 64.05 62.18 2kkv n THR 65 Cb 0.21 -0.96 0.60 0.00 -1.82 0.00 0.00 70.33 68.35 2kkv n THR 65 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2kkv h SER 66 N 0.00 0.00 0.00 8.00 0.02 -1.30 -3.46 113.55 116.81 2kkv h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkv h SER 66 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2kkv h SER 66 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2kkv n GLY 67 N 0.13 1.07 1.59 -3.77 0.00 -0.75 -4.98 105.19 98.48 2kkv n GLY 67 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2kkv n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kkv n LYS 68 N -0.07 3.19 0.28 1.61 4.76 -1.10 -4.65 118.16 122.18 2kkv n LYS 68 Ca 0.00 -3.05 0.15 0.00 -2.87 0.00 0.00 58.31 52.54 2kkv n LYS 68 Cb 0.00 -2.06 0.89 0.00 -1.84 0.00 0.00 35.03 32.02 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 2kkv h HIS 69 N 2.15 0.00 0.38 2.13 2.07 -1.68 -2.97 115.15 117.23 2kkv h HIS 69 Ca 0.20 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.70 2kkv h HIS 69 Cb 2.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.00 2kkv h HIS 69 CO 1.06 0.00 -0.18 0.22 -3.07 0.00 0.00 177.93 175.96 2kkv h ASP 70 N 0.00 -0.43 0.06 3.10 1.82 -1.90 0.13 116.42 119.20 2kkv h ASP 70 Ca 0.02 -0.03 -0.12 0.00 -0.39 0.00 0.00 57.03 56.50 2kkv h ASP 70 Cb 0.10 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 2kkv h ASP 70 CO -0.00 -0.24 -0.39 -0.37 -1.61 0.00 0.00 179.24 176.63 2kkv h VAL 71 N -0.59 1.30 -0.73 2.25 -1.51 -1.92 -1.60 116.25 113.46 2kkv h VAL 71 Ca -0.05 -1.53 -0.07 0.00 -1.23 0.00 0.00 66.70 63.82 2kkv h VAL 71 Cb 0.44 1.59 -0.03 0.00 -2.13 0.00 0.00 31.29 31.15 2kkv h VAL 71 CO 0.09 0.47 0.19 0.00 -1.23 0.00 0.00 177.57 177.09 2kkv h ALA 72 N 1.22 0.97 -0.42 5.19 0.00 -1.42 -2.77 119.26 122.02 2kkv h ALA 72 Ca 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2kkv h ALA 72 Cb 0.85 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2kkv h ALA 72 CO 0.07 0.67 0.20 0.37 0.00 0.00 0.00 179.25 180.56 2kkv h GLN 73 N 1.09 0.61 -0.89 0.00 4.15 -0.30 -2.02 115.11 117.76 2kkv h GLN 73 Ca 0.23 -0.09 0.20 0.00 0.77 0.00 0.00 58.65 59.76 2kkv h GLN 73 Cb 0.35 -0.11 -0.12 0.00 0.21 0.00 0.00 27.48 27.82 2kkv h GLN 73 CO -0.00 0.54 0.42 0.00 -1.93 0.00 0.00 178.83 177.86 2kkv h ARG 74 N 0.54 0.47 -0.03 1.69 2.47 -1.03 0.20 114.38 118.68 2kkv h ARG 74 Ca 0.14 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 2kkv h ARG 74 Cb 0.13 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2kkv h ARG 74 CO -0.02 0.31 -0.15 -0.07 0.56 0.00 0.00 179.97 180.60 2kkv h LEU 75 N 0.48 0.18 -0.98 3.04 -0.00 -1.26 -2.41 115.31 114.35 2kkv h LEU 75 Ca 0.54 -0.67 -0.08 0.00 -0.00 0.00 0.00 57.88 57.67 2kkv h LEU 75 Cb 0.96 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.55 2kkv h LEU 75 CO -0.48 0.82 -0.14 0.06 -0.00 0.00 0.00 178.44 178.70 2kkv h GLN 76 N -0.45 0.57 -0.33 1.13 -0.00 -0.78 0.15 115.11 115.40 2kkv h GLN 76 Ca -0.01 -0.18 -0.07 0.00 -0.00 0.00 0.00 58.65 58.39 2kkv h GLN 76 Cb 0.82 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 28.23 2kkv h GLN 76 CO 0.03 0.70 -0.08 0.37 -0.00 0.00 0.00 178.83 179.85 2kkv h GLN 77 N 0.52 0.54 -0.00 0.06 -0.00 -0.71 -2.56 115.11 112.97 2kkv h GLN 77 Ca 0.09 -0.14 -0.17 0.00 -0.00 0.00 0.00 58.65 58.43 2kkv h GLN 77 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.95 2kkv h GLN 77 CO 0.04 0.63 -0.80 -0.09 0.00 0.00 0.00 178.83 178.60 2kkv h ARG 78 N 0.50 0.06 -0.77 1.69 9.65 -0.63 -1.62 114.38 123.27 2kkv h ARG 78 Ca 0.10 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2kkv h ARG 78 Cb 0.45 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.00 2kkv h ARG 78 CO 0.02 0.82 0.49 0.28 2.80 0.00 0.00 179.97 184.38 2kkv h VAL 79 N 0.03 1.12 -0.28 0.20 2.07 -0.50 0.94 116.25 119.84 2kkv h VAL 79 Ca -0.02 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2kkv h VAL 79 Cb 1.40 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2kkv h VAL 79 CO 0.11 0.18 -0.14 0.74 0.02 0.00 0.00 177.57 178.47 2kkv h THR 80 N 0.96 1.23 -0.23 2.57 2.02 -1.15 -2.12 112.91 116.19 2kkv h THR 80 Ca 0.30 -1.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.35 2kkv h THR 80 Cb -0.00 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2kkv h THR 80 CO -0.11 0.33 -0.28 0.00 0.37 0.00 0.00 175.52 175.84 2kkv h ALA 81 N 1.42 1.09 -0.71 6.16 0.00 -0.31 -2.51 119.26 124.41 2kkv h ALA 81 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2kkv h ALA 81 Cb 0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2kkv h ALA 81 CO 0.03 0.56 0.40 0.82 0.00 0.00 0.00 179.25 181.06 2kkv h ILE 82 N 0.39 1.22 -0.65 0.00 2.04 -0.23 -2.32 117.51 117.97 2kkv h ILE 82 Ca 0.05 -0.54 0.09 0.00 1.00 0.00 0.00 64.86 65.47 2kkv h ILE 82 Cb 0.70 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2kkv h ILE 82 CO 0.05 0.24 0.43 0.24 0.00 0.00 0.00 178.15 179.11 2kkv h MET 83 N 0.98 0.51 -0.56 2.37 2.86 -0.98 -0.43 114.93 119.68 2kkv h MET 83 Ca 0.25 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2kkv h MET 83 Cb 0.03 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 2kkv h MET 83 CO -0.04 0.34 0.30 0.00 1.06 0.00 0.00 176.91 178.57 2kkv h ARG 84 N 0.53 0.57 0.00 1.72 2.47 -1.18 0.15 114.38 118.64 2kkv h ARG 84 Ca 0.29 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.82 2kkv h ARG 84 Cb 0.46 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 2kkv h ARG 84 CO -0.09 0.38 -0.76 1.88 0.56 0.00 0.00 179.97 181.93 2kkv h TYR 85 N 0.59 0.00 -0.86 3.04 0.05 -1.32 -2.98 116.97 115.48 2kkv h TYR 85 Ca 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 2kkv h TYR 85 Cb 0.12 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 2kkv h TYR 85 CO -0.09 0.76 0.48 0.00 -1.05 0.00 0.00 178.16 178.26 2kkv h ALA 86 N 1.24 1.23 0.00 3.88 0.00 -0.33 -1.66 119.26 123.62 2kkv h ALA 86 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kkv h ALA 86 Cb 1.45 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kkv h ALA 86 CO 0.10 0.63 -0.03 0.28 0.00 0.00 0.00 179.25 180.23 2kkv h VAL 87 N 1.19 0.88 -0.20 0.00 2.07 -0.58 -2.28 116.25 117.33 2kkv h VAL 87 Ca 0.30 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2kkv h VAL 87 Cb 0.01 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2kkv h VAL 87 CO -0.05 0.03 0.13 -0.61 0.02 0.00 0.00 177.57 177.09 2kkv h GLN 88 N 0.00 0.27 -0.00 1.57 5.75 -1.25 0.34 115.11 121.79 2kkv h GLN 88 Ca -0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2kkv h GLN 88 Cb 0.05 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.54 2kkv h GLN 88 CO 0.00 0.18 -0.28 -1.71 -2.65 0.00 0.00 178.83 174.37 2kkv n ASN 89 N -4.51 0.75 -0.12 -0.69 4.05 -0.86 -4.93 115.26 108.96 2kkv n ASN 89 Ca 0.00 -0.62 -0.02 0.00 0.45 0.00 0.00 54.58 54.40 2kkv n ASN 89 Cb 0.07 0.10 -0.01 0.00 1.23 0.00 0.00 39.78 41.18 2kkv n ASN 89 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2kkv n ASP 90 N -0.95 -5.37 0.13 1.20 8.00 0.11 -4.84 116.55 114.82 2kkv n ASP 90 Ca 0.11 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2kkv n ASP 90 Cb 0.33 -3.00 0.04 0.00 -0.02 0.00 0.00 41.12 38.47 2kkv n ASP 90 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2kkv h TYR 91 N 0.00 0.00 0.00 1.24 -0.00 -1.82 -3.17 116.97 113.21 2kkv h TYR 91 Ca -0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 58.73 58.45 2kkv h TYR 91 Cb 0.83 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.52 2kkv h TYR 91 CO 0.50 0.62 -1.58 -0.84 -0.00 0.00 0.00 178.16 176.87 2kkv h ILE 92 N 0.00 0.75 0.00 -0.90 3.07 -1.86 -3.48 117.51 115.09 2kkv h ILE 92 Ca -0.01 -2.47 0.00 0.00 1.55 0.00 0.00 64.86 63.93 2kkv h ILE 92 Cb 1.40 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 40.24 2kkv h ILE 92 CO 0.08 0.42 0.00 -0.67 -1.05 0.00 0.00 178.15 176.94 2kkv n ASP 93 N -3.00 0.00 -4.53 2.16 2.03 -1.20 -4.84 116.55 107.17 2kkv n ASP 93 Ca -0.14 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.90 2kkv n ASP 93 Cb 0.97 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 41.50 2kkv n ASP 93 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kkv s SER 94 N 0.00 3.94 -0.64 1.67 0.15 -1.26 -5.05 113.70 112.51 2kkv s SER 94 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2kkv s SER 94 Cb 0.00 -0.56 0.16 0.00 -1.71 0.00 0.00 66.02 63.91 2kkv s SER 94 CO 0.00 -2.19 0.44 0.20 1.20 0.00 0.00 173.24 172.89 2kkv s ASN 95 N -4.73 4.99 1.01 5.45 -0.87 -1.26 -4.93 114.94 114.60 2kkv s ASN 95 Ca 0.68 -3.17 -0.10 0.00 -1.57 0.00 0.00 52.86 48.70 2kkv s ASN 95 Cb -0.07 -1.77 0.14 0.00 -0.02 0.00 0.00 41.25 39.53 2kkv s ASN 95 CO 0.49 -0.26 0.79 -0.81 -2.57 0.00 0.00 177.10 174.74 2kkv n PRO 96 N 2.99 -0.86 -1.53 -0.60 -0.05 -1.26 -4.22 135.00 129.47 2kkv n PRO 96 Ca 0.10 -1.22 -0.18 0.00 -0.05 0.00 0.00 63.50 62.15 2kkv n PRO 96 Cb 0.35 -0.83 -0.08 0.00 -0.05 0.00 0.00 33.50 32.90 2kkv n PRO 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kkv n ALA 97 N -3.55 -0.28 0.22 0.55 0.00 -1.26 -4.85 120.51 111.35 2kkv n ALA 97 Ca -0.13 0.30 0.07 0.00 0.00 0.00 0.00 53.44 53.68 2kkv n ALA 97 Cb 0.35 -1.98 0.50 0.00 0.00 0.00 0.00 19.45 18.32 2kkv n ALA 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kkv h SER 98 N 0.00 0.00 1.00 0.00 4.64 -1.94 -2.42 113.55 114.83 2kkv h SER 98 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2kkv h SER 98 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2kkv h SER 98 CO 0.55 0.26 -0.20 -0.67 -0.87 0.00 0.00 176.83 175.90 2kkv n ASP 99 N -3.77 0.42 0.03 4.97 2.03 -1.26 -3.88 116.55 115.09 2kkv n ASP 99 Ca -0.01 0.31 -0.11 0.00 0.52 0.00 0.00 54.79 55.50 2kkv n ASP 99 Cb 0.36 -0.32 -0.05 0.00 -0.72 0.00 0.00 41.12 40.39 2kkv n ASP 99 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2kkv h MET 100 N 0.00 -0.14 -0.64 -0.67 2.86 -1.82 0.41 114.93 114.93 2kkv h MET 100 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2kkv h MET 100 Cb 0.60 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.29 2kkv h MET 100 CO 0.00 -0.09 0.00 0.00 1.06 0.00 0.00 176.91 177.88 2kkv n ALA 101 N -2.36 3.20 -0.40 6.32 0.00 -1.26 -3.91 120.51 122.10 2kkv n ALA 101 Ca -0.05 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.02 2kkv n ALA 101 Cb 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2kkv n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkv n GLY 102 N 0.84 0.02 0.13 0.00 0.00 -0.67 -4.77 105.19 100.75 2kkv n GLY 102 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 2kkv n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv h ALA 103 N 0.00 0.46 -2.98 4.61 0.00 -1.07 -3.42 119.26 116.85 2kkv h ALA 103 Ca 0.00 -0.73 -0.52 0.00 0.00 0.00 0.00 54.91 53.67 2kkv h ALA 103 Cb 0.44 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.77 2kkv h ALA 103 CO 0.00 0.89 -0.77 -0.48 0.00 0.00 0.00 179.25 178.89 2kkv s LEU 104 N -7.50 0.81 0.00 0.00 2.34 -1.26 -4.95 118.68 108.11 2kkv s LEU 104 Ca -0.04 -1.08 0.00 0.00 0.06 0.00 0.00 54.13 53.07 2kkv s LEU 104 Cb 0.10 -0.42 0.00 0.00 -0.56 0.00 0.00 46.19 45.30 2kkv s LEU 104 CO 0.84 -0.39 0.00 -0.24 -1.06 0.00 0.00 176.35 175.50 2kkv n SER 105 N 5.17 0.00 -4.30 1.48 2.88 -1.26 -5.00 113.62 112.58 2kkv n SER 105 Ca -0.06 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.02 2kkv n SER 105 Cb 0.45 0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 64.08 2kkv n SER 105 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kkv s THR 106 N -0.99 5.31 -0.24 2.46 -4.23 -1.26 -5.04 115.64 111.65 2kkv s THR 106 Ca 0.00 -2.16 -0.27 0.00 -1.18 0.00 0.00 61.69 58.08 2kkv s THR 106 Cb 0.00 -4.33 0.00 0.00 1.34 0.00 0.00 72.50 69.51 2kkv s THR 106 CO 0.00 -0.96 0.94 0.42 -0.54 0.00 0.00 174.62 174.49 2kkv s THR 107 N 0.67 4.75 0.27 3.99 -4.23 -1.26 -5.03 115.64 114.80 2kkv s THR 107 Ca 0.12 1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 62.28 2kkv s THR 107 Cb -0.18 -4.22 -0.09 0.00 1.34 0.00 0.00 72.50 69.35 2kkv s THR 107 CO -0.04 -0.14 0.73 -0.75 -0.54 0.00 0.00 174.62 173.88 2kkv s LYS 108 N 3.05 4.12 -0.26 3.99 2.47 -1.26 -5.01 119.74 126.84 2kkv s LYS 108 Ca 0.40 0.76 -0.15 0.00 -1.56 0.00 0.00 55.97 55.42 2kkv s LYS 108 Cb -0.15 -2.65 -0.12 0.00 -1.46 0.00 0.00 37.83 33.45 2kkv s LYS 108 CO 0.07 0.27 -0.29 0.00 0.16 0.00 0.00 175.35 175.56 2kkv n ALA 109 N 0.17 1.09 -2.84 3.13 0.00 -1.26 -4.76 120.51 116.03 2kkv n ALA 109 Ca 0.01 -0.99 -0.43 0.00 0.00 0.00 0.00 53.44 52.03 2kkv n ALA 109 Cb 0.52 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 2kkv n ALA 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kkv s ARG 110 N -2.54 3.57 -0.36 0.00 3.00 -1.26 -4.84 118.95 116.51 2kkv s ARG 110 Ca -0.36 -1.56 0.06 0.00 -1.00 0.00 0.00 55.73 52.87 2kkv s ARG 110 Cb 0.12 -4.97 0.19 0.00 0.00 0.00 0.00 34.95 30.29 2kkv s ARG 110 CO 0.49 -1.87 0.65 -3.38 0.00 0.00 0.00 175.30 171.19 2kkv s HIS 111 N 3.27 -1.67 -0.09 5.12 -3.43 -1.26 -5.15 115.29 112.08 2kkv s HIS 111 Ca 0.35 0.52 0.03 0.00 -0.80 0.00 0.00 55.06 55.16 2kkv s HIS 111 Cb -0.04 0.30 0.01 0.00 -1.43 0.00 0.00 32.58 31.41 2kkv s HIS 111 CO -0.08 -1.08 -0.18 0.71 -2.00 0.00 0.00 174.74 172.11 2kkv s TYR 112 N 2.21 2.06 0.00 0.38 2.02 -1.26 -5.08 117.35 117.67 2kkv s TYR 112 Ca 0.14 -0.87 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 2kkv s TYR 112 Cb -0.06 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2kkv s TYR 112 CO -0.14 -0.40 0.47 -2.30 -1.57 0.00 0.00 175.55 171.61 2kkv n PRO 113 N 3.83 0.00 0.00 -1.71 -0.02 -1.26 -4.97 135.00 130.87 2kkv n PRO 113 Ca -0.20 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2kkv n PRO 113 Cb 0.52 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 2kkv n PRO 113 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2kkv n LEU 114 N -0.83 0.00 -4.40 2.45 0.00 -1.26 -5.11 117.00 107.85 2kkv n LEU 114 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 56.01 55.48 2kkv n LEU 114 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 2kkv n LEU 114 CO 0.00 0.00 1.77 -0.62 0.00 0.00 0.00 177.39 178.54 2kkv n GLU 115 N 0.00 0.79 -2.88 1.96 -0.58 -1.26 -4.87 120.64 113.80 2kkv n GLU 115 Ca 0.00 0.22 -0.43 0.00 -0.42 0.00 0.00 57.16 56.52 2kkv n GLU 115 Cb 0.00 -2.19 -0.04 0.00 -0.57 0.00 0.00 31.44 28.64 2kkv n GLU 115 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kkv s HIS 116 N 6.85 2.72 0.29 -0.32 2.46 -1.26 -5.02 115.29 121.01 2kkv s HIS 116 Ca 1.12 -0.46 0.03 0.00 0.47 0.00 0.00 55.06 56.22 2kkv s HIS 116 Cb -1.04 -4.20 -0.03 0.00 -0.13 0.00 0.00 32.58 27.18 2kkv s HIS 116 CO 0.54 -1.55 0.45 -3.38 -2.47 0.00 0.00 174.74 168.33 2kkv s HIS 117 N 3.93 3.47 0.18 3.88 -3.43 -1.26 -5.12 115.29 116.94 2kkv s HIS 117 Ca 0.23 0.16 0.03 0.00 -0.80 0.00 0.00 55.06 54.68 2kkv s HIS 117 Cb -0.16 -1.73 -0.05 0.00 -1.43 0.00 0.00 32.58 29.21 2kkv s HIS 117 CO 0.12 0.29 -0.03 -1.01 -2.00 0.00 0.00 174.74 172.11 2kkv s HIS 118 N -2.14 1.31 -1.31 0.38 3.76 -1.26 -5.06 115.29 110.97 2kkv s HIS 118 Ca 0.37 -0.92 -0.17 0.00 -0.15 0.00 0.00 55.06 54.18 2kkv s HIS 118 Cb -0.09 -0.73 0.07 0.00 1.11 0.00 0.00 32.58 32.93 2kkv s HIS 118 CO 0.32 -0.09 1.78 1.58 -0.85 0.00 0.00 174.74 177.48 2kkv n HIS 119 N -0.27 4.57 -3.91 1.40 -0.00 -1.26 -4.85 115.22 110.89 2kkv n HIS 119 Ca -0.07 -2.87 -0.09 0.00 0.46 0.00 0.00 57.72 55.14 2kkv n HIS 119 Cb 0.63 -2.62 -0.06 0.00 -0.12 0.00 0.00 29.99 27.82 2kkv n HIS 119 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kkv s HIS 120 N 4.04 0.27 -1.44 1.57 3.76 -1.26 -5.39 115.29 116.84 2kkv s HIS 120 Ca 0.53 -0.63 0.11 0.00 -0.15 0.00 0.00 55.06 54.92 2kkv s HIS 120 Cb 0.05 0.09 0.09 0.00 1.11 0.00 0.00 32.58 33.92 2kkv s HIS 120 CO 0.06 -0.81 0.86 -2.39 -0.85 0.00 0.00 174.74 171.61